data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18853_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.14 _LACS_plot.Line_1_terminator_val_y_1 -1.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.97 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.37 _LACS_plot.Line_2_terminator_val_x_2 7.10 _LACS_plot.Line_2_terminator_val_y_2 6.54 _LACS_plot.Y_axis_chem_shift_offset -1.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 107 LYS 5.58 1.64 0 12 SER 0.01 1.33 1 14 LEU -0.03 1.09 1 15 VAL -0.21 0.91 1 17 ARG 0.34 1.37 1 20 HIS 0.53 1.51 1 21 MET 0.10 1.30 1 23 THR -0.16 0.92 1 24 HIS 0.01 1.25 1 25 THR 0.44 1.16 1 27 ASP -0.90 0.78 1 28 GLN 1.33 2.47 1 29 SER 4.07 3.90 1 30 THR 5.18 5.12 1 31 ALA 3.06 3.34 1 32 TYR 1.89 2.61 1 33 MET 2.99 3.36 1 34 GLN 0.87 1.72 1 36 THR 2.04 1.94 1 37 ALA -3.23 -0.49 1 38 GLN -2.62 0.82 1 39 ALA -3.87 -0.40 1 40 ASP -3.11 -1.23 1 41 SER 6.79 5.66 1 42 ALA 4.01 3.93 1 43 PHE 4.25 4.46 1 44 TYR 3.10 2.67 1 45 LEU 3.72 4.03 1 46 GLN 4.60 4.10 1 47 GLN 5.51 2.53 1 48 MET 3.81 5.68 1 49 GLN 2.88 3.31 1 50 GLN -0.46 0.49 1 51 SER -1.46 1.30 1 52 SER -2.76 0.11 1 53 ASP 1.25 2.13 1 54 ASP 3.86 3.84 1 55 THR 4.34 4.69 1 56 ARG 5.14 5.56 1 57 ILE 4.59 3.96 1 58 ASN 4.93 4.14 1 59 TRP 2.06 3.27 1 60 GLN 5.22 5.35 1 61 LEU 1.62 4.36 1 62 LEU 5.18 3.91 1 63 ALA 4.68 4.67 1 64 ILE 6.52 6.66 1 65 ARG 3.92 4.90 1 66 ALA 3.11 3.54 1 67 LEU 3.86 4.36 1 68 VAL 6.80 6.24 1 69 LYS 4.23 4.04 1 70 GLU -0.69 0.76 1 72 LYS 0.03 -1.09 1 73 THR 6.79 6.04 1 75 GLN 3.78 4.23 1 76 ALA 3.19 4.10 1 77 VAL 5.69 5.69 1 78 GLU 3.80 3.92 1 79 LEU 2.28 3.34 1 80 PHE 3.64 4.76 1 81 ASN 2.62 2.62 1 82 GLN -0.53 0.32 1 83 LEU 0.92 1.93 1 85 GLN 2.09 2.82 1 86 GLU 1.18 0.47 1 87 LEU -5.14 -1.04 1 88 ASN -0.25 -0.36 1 89 ASP 4.79 5.38 1 90 ALA 3.92 3.89 1 91 GLN 3.00 3.44 1 92 ARG 4.95 5.06 1 93 ARG 4.47 5.12 1 94 GLU 3.32 3.19 1 95 LYS 5.10 5.58 1 96 THR 6.11 6.00 1 97 LEU 2.77 3.68 1 98 LEU 2.35 3.33 1 99 ALA 3.43 3.72 1 100 VAL 6.01 5.77 1 101 GLU 4.62 4.60 1 102 ILE 5.98 6.07 1 103 LYS 4.78 4.29 1 104 LEU 4.06 3.97 1 105 ALA 2.86 3.33 1 106 GLN 0.58 1.17 1 108 ASP -1.02 -2.29 1 109 PHE 5.70 5.46 1 110 ALA 3.66 3.61 1 112 ALA 3.85 4.24 1 113 GLN 4.87 4.88 1 114 ASN 3.38 4.19 1 115 LEU 1.81 3.47 1 116 LEU 2.62 3.79 1 117 ALA 2.08 2.45 1 118 LYS -0.17 0.47 1 119 ILE -1.90 0.74 1 120 THR -1.41 -0.72 1 122 ALA 2.14 2.62 1 123 ASP 0.10 1.09 1 124 LEU -1.67 -0.45 1 125 GLU -0.88 0.43 1 126 GLN 6.58 6.63 1 127 ASN 3.95 4.29 1 128 GLN 1.10 3.11 1 129 GLN 5.36 5.40 1 130 ALA 5.62 5.02 1 131 ARG 1.60 4.05 1 132 TYR 4.80 4.73 1 133 TRP 2.69 3.49 1 134 GLN 3.50 3.43 1 135 ALA 3.35 3.27 1 136 LYS 4.23 3.99 1 137 ILE 4.90 5.52 1 138 ASP 4.25 4.27 1 139 ALA 2.91 2.61 1 140 SER 1.56 3.07 1 141 GLN 2.59 2.45 1 143 ARG 0.28 0.79 1 145 SER -2.96 -0.08 1 146 ILE 2.67 2.93 1 147 ASP 3.31 4.29 1 148 LEU 3.63 3.99 1 149 LEU 3.65 4.07 1 150 ARG 5.08 5.55 1 151 ALA 2.43 3.29 1 152 LEU 4.60 4.64 1 153 ILE 3.41 4.35 1 154 ALA 3.79 2.22 1 155 GLN 1.73 3.20 1 158 LEU -0.07 0.63 1 159 LEU -2.82 -0.32 1 161 ALA 3.96 4.80 1 162 LYS 3.69 3.56 1 163 GLU 0.92 2.58 1 164 LYS 4.35 5.44 1 165 GLN 4.00 4.18 1 166 GLN 4.68 4.37 1 167 ASN 2.58 4.90 1 168 ILE 4.96 5.12 1 169 ASP 5.73 4.52 1 170 ALA 3.44 3.48 1 171 THR 6.70 6.12 1 172 TRP 1.20 2.30 1 173 GLN 4.74 4.22 1 174 ALA 4.18 3.55 1 175 LEU 2.24 3.25 1 176 SER 2.25 1.84 1 177 SER 0.16 1.38 1 178 MET -1.37 1.64 1 179 THR -2.26 -0.22 1 180 GLN 5.00 4.53 1 181 GLU 4.32 4.06 1 182 GLN 3.32 3.62 1 183 ALA 3.30 3.37 1 184 ASN 1.66 2.45 1 185 THR -0.26 0.99 1 186 LEU 1.02 1.54 1 187 VAL 0.07 0.99 1 188 ILE -2.72 -0.75 1 189 ASN -1.37 0.55 1 190 ALA 2.71 3.29 1 191 ASP 0.83 0.37 1 192 GLU 1.70 0.77 1 193 ASN 3.56 4.87 1 194 ILE 5.51 3.88 1 195 LEU 5.10 4.54 1 196 GLN 4.99 5.08 1 198 TRP 3.49 4.79 1 199 LEU 4.63 3.50 1 200 ASP 2.54 4.30 1 201 LEU 6.21 3.69 1 202 GLN 4.84 5.38 1 203 ARG 5.21 4.98 1 204 VAL 5.55 5.36 1 205 TRP 4.43 4.78 1 206 PHE 4.12 3.92 1 207 ASP 2.54 3.06 1 208 ASN -0.73 2.05 1 209 ARG 5.44 3.96 1 210 ASN 0.74 1.49 1 211 ASP -3.01 -0.29 1 213 ASP 4.40 4.52 1 214 MET 2.91 2.84 1 215 MET 3.66 3.76 1 216 LYS 5.04 5.26 1 217 ALA 3.33 3.36 1 219 ILE 5.31 5.90 1 220 ALA 3.83 3.55 1 221 ASP 2.74 4.06 1 222 TRP 7.10 6.67 1 223 GLN 2.53 4.37 1 224 LYS 2.31 2.71 1 225 ARG 1.93 3.34 1 226 TYR 0.72 1.01 1 228 ASN -0.24 0.24 1 229 ASN -0.08 2.34 1 232 ALA 1.95 2.62 1 233 LYS 0.35 1.74 1 234 MET -2.26 0.17 1 235 LEU -0.66 1.48 1 237 THR 6.16 5.88 1 238 GLN 3.57 4.06 1 239 LEU -0.32 0.36 1 240 VAL 3.16 3.46 1 241 ASN 0.49 1.13 1 242 VAL 2.21 2.35 1 243 LYS 0.22 1.27 1 244 ALA -0.47 0.79 1 245 PHE 0.12 1.24 1 246 LYS -1.43 0.17 1 248 ALA -0.30 0.99 1 249 SER -0.28 0.98 1 250 THR 0.40 2.28 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18853_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.14 _LACS_plot.Line_1_terminator_val_y_1 3.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.63 _LACS_plot.Line_2_terminator_val_x_2 7.10 _LACS_plot.Line_2_terminator_val_y_2 -0.56 _LACS_plot.Y_axis_chem_shift_offset -1.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 107 LYS 5.58 -3.94 0 12 SER 0.01 1.32 1 14 LEU -0.03 1.12 1 15 VAL -0.21 1.12 1 17 ARG 0.34 1.03 1 20 HIS 0.53 0.98 1 21 MET 0.10 1.20 1 23 THR -0.16 1.08 1 24 HIS 0.01 1.24 1 25 THR 0.44 0.72 1 27 ASP -0.90 1.68 1 28 GLN 1.33 1.14 1 29 SER 4.07 -0.17 1 30 THR 5.18 -0.06 1 31 ALA 3.06 0.28 1 32 TYR 1.89 0.72 1 33 MET 2.99 0.37 1 34 GLN 0.87 0.85 1 36 THR 2.04 -0.10 1 37 ALA -3.23 2.74 1 38 GLN -2.62 3.44 1 39 ALA -3.87 3.47 1 40 ASP -3.11 1.88 1 41 SER 6.79 -1.13 1 42 ALA 4.01 -0.08 1 43 PHE 4.25 0.21 1 44 TYR 3.10 -0.43 1 45 LEU 3.72 0.31 1 46 GLN 4.60 -0.50 1 47 GLN 5.51 -2.98 1 48 MET 3.81 1.87 1 49 GLN 2.88 0.43 1 50 GLN -0.46 0.95 1 51 SER -1.46 2.76 1 52 SER -2.76 2.87 1 53 ASP 1.25 0.88 1 54 ASP 3.86 -0.02 1 55 THR 4.34 0.35 1 56 ARG 5.14 0.42 1 57 ILE 4.59 -0.63 1 58 ASN 4.93 -0.79 1 59 TRP 2.06 1.21 1 60 GLN 5.22 0.13 1 61 LEU 1.62 2.74 1 62 LEU 5.18 -1.27 1 63 ALA 4.68 -0.01 1 64 ILE 6.52 0.14 1 65 ARG 3.92 0.98 1 66 ALA 3.11 0.43 1 67 LEU 3.86 0.50 1 68 VAL 6.80 -0.56 1 69 LYS 4.23 -0.19 1 70 GLU -0.69 1.45 1 72 LYS 0.03 -1.12 1 73 THR 6.79 -0.75 1 75 GLN 3.78 0.45 1 76 ALA 3.19 0.91 1 77 VAL 5.69 0.00 1 78 GLU 3.80 0.12 1 79 LEU 2.28 1.06 1 80 PHE 3.64 1.12 1 81 ASN 2.62 0.00 1 82 GLN -0.53 0.85 1 83 LEU 0.92 1.01 1 85 GLN 2.09 0.73 1 86 GLU 1.18 -0.71 1 87 LEU -5.14 4.10 1 88 ASN -0.25 -0.11 1 89 ASP 4.79 0.59 1 90 ALA 3.92 -0.03 1 91 GLN 3.00 0.44 1 92 ARG 4.95 0.11 1 93 ARG 4.47 0.65 1 94 GLU 3.32 -0.13 1 95 LYS 5.10 0.48 1 96 THR 6.11 -0.11 1 97 LEU 2.77 0.91 1 98 LEU 2.35 0.98 1 99 ALA 3.43 0.29 1 100 VAL 6.01 -0.24 1 101 GLU 4.62 -0.02 1 102 ILE 5.98 0.09 1 103 LYS 4.78 -0.49 1 104 LEU 4.06 -0.09 1 105 ALA 2.86 0.47 1 106 GLN 0.58 0.59 1 108 ASP -1.02 -1.27 1 109 PHE 5.70 -0.24 1 110 ALA 3.66 -0.05 1 112 ALA 3.85 0.39 1 113 GLN 4.87 0.01 1 114 ASN 3.38 0.81 1 115 LEU 1.81 1.66 1 116 LEU 2.62 1.17 1 117 ALA 2.08 0.37 1 118 LYS -0.17 0.64 1 119 ILE -1.90 2.64 1 120 THR -1.41 0.69 1 122 ALA 2.14 0.48 1 123 ASP 0.10 0.99 1 124 LEU -1.67 1.22 1 125 GLU -0.88 1.31 1 126 GLN 6.58 0.05 1 127 ASN 3.95 0.34 1 128 GLN 1.10 2.01 1 129 GLN 5.36 0.04 1 130 ALA 5.62 -0.60 1 131 ARG 1.60 2.45 1 132 TYR 4.80 -0.07 1 133 TRP 2.69 0.80 1 134 GLN 3.50 -0.07 1 135 ALA 3.35 -0.08 1 136 LYS 4.23 -0.24 1 137 ILE 4.90 0.62 1 138 ASP 4.25 0.02 1 139 ALA 2.91 -0.30 1 140 SER 1.56 1.51 1 141 GLN 2.59 -0.14 1 143 ARG 0.28 0.51 1 145 SER -2.96 2.88 1 146 ILE 2.67 0.26 1 147 ASP 3.31 0.98 1 148 LEU 3.63 0.36 1 149 LEU 3.65 0.42 1 150 ARG 5.08 0.47 1 151 ALA 2.43 0.86 1 152 LEU 4.60 0.04 1 153 ILE 3.41 0.94 1 154 ALA 3.79 -1.57 1 155 GLN 1.73 1.47 1 158 LEU -0.07 0.70 1 159 LEU -2.82 2.50 1 161 ALA 3.96 0.84 1 162 LYS 3.69 -0.13 1 163 GLU 0.92 1.66 1 164 LYS 4.35 1.09 1 165 GLN 4.00 0.18 1 166 GLN 4.68 -0.31 1 167 ASN 2.58 2.32 1 168 ILE 4.96 0.16 1 169 ASP 5.73 -1.21 1 170 ALA 3.44 0.04 1 171 THR 6.70 -0.58 1 172 TRP 1.20 1.10 1 173 GLN 4.74 -0.52 1 174 ALA 4.18 -0.63 1 175 LEU 2.24 1.01 1 176 SER 2.25 -0.41 1 177 SER 0.16 1.22 1 178 MET -1.37 3.01 1 179 THR -2.26 2.04 1 180 GLN 5.00 -0.47 1 181 GLU 4.32 -0.26 1 182 GLN 3.32 0.30 1 183 ALA 3.30 0.07 1 184 ASN 1.66 0.79 1 185 THR -0.26 1.25 1 186 LEU 1.02 0.52 1 187 VAL 0.07 0.92 1 188 ILE -2.72 1.97 1 189 ASN -1.37 1.92 1 190 ALA 2.71 0.58 1 191 ASP 0.83 -0.46 1 192 GLU 1.70 -0.93 1 193 ASN 3.56 1.31 1 194 ILE 5.51 -1.63 1 195 LEU 5.10 -0.56 1 196 GLN 4.99 0.09 1 198 TRP 3.49 1.30 1 199 LEU 4.63 -1.13 1 200 ASP 2.54 1.76 1 201 LEU 6.21 -2.52 1 202 GLN 4.84 0.54 1 203 ARG 5.21 -0.23 1 204 VAL 5.55 -0.19 1 205 TRP 4.43 0.35 1 206 PHE 4.12 -0.20 1 207 ASP 2.54 0.52 1 208 ASN -0.73 2.78 1 209 ARG 5.44 -1.48 1 210 ASN 0.74 0.75 1 211 ASP -3.01 2.72 1 213 ASP 4.40 0.12 1 214 MET 2.91 -0.07 1 215 MET 3.66 0.10 1 216 LYS 5.04 0.22 1 217 ALA 3.33 0.03 1 219 ILE 5.31 0.59 1 220 ALA 3.83 -0.28 1 221 ASP 2.74 1.32 1 222 TRP 7.10 -0.43 1 223 GLN 2.53 1.84 1 224 LYS 2.31 0.40 1 225 ARG 1.93 1.41 1 226 TYR 0.72 0.29 1 228 ASN -0.24 0.48 1 229 ASN -0.08 2.42 1 232 ALA 1.95 0.67 1 233 LYS 0.35 1.39 1 234 MET -2.26 2.43 1 235 LEU -0.66 2.14 1 237 THR 6.16 -0.28 1 238 GLN 3.57 0.49 1 239 LEU -0.32 0.68 1 240 VAL 3.16 0.30 1 241 ASN 0.49 0.64 1 242 VAL 2.21 0.14 1 243 LYS 0.22 1.05 1 244 ALA -0.47 1.26 1 245 PHE 0.12 1.12 1 246 LYS -1.43 1.60 1 248 ALA -0.30 1.29 1 249 SER -0.28 1.26 1 250 THR 0.40 1.88 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18853_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.14 _LACS_plot.Line_1_terminator_val_y_1 0.36 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.11 _LACS_plot.Line_2_terminator_val_x_2 7.10 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 223 GLN 2.53 -1.23 0 107 LYS 5.58 -1.54 0 12 SER 0.01 -0.01 1 14 LEU -0.03 0.00 1 15 VAL -0.21 -0.06 1 17 ARG 0.34 -0.04 1 20 HIS 0.53 -0.03 1 21 MET 0.10 -0.01 1 23 THR -0.16 -0.04 1 24 HIS 0.01 0.05 1 25 THR 0.44 -0.05 1 27 ASP -0.90 0.04 1 28 GLN 1.33 0.06 1 29 SER 4.07 -0.78 1 30 THR 5.18 -0.54 1 31 ALA 3.06 -0.28 1 32 TYR 1.89 -0.03 1 33 MET 2.99 -0.28 1 34 GLN 0.87 -0.09 1 36 THR 2.04 -0.16 1 37 ALA -3.23 0.05 1 38 GLN -2.62 0.34 1 39 ALA -3.87 0.02 1 40 ASP -3.11 0.05 1 41 SER 6.79 -0.67 1 42 ALA 4.01 -0.33 1 43 PHE 4.25 -0.58 1 44 TYR 3.10 -0.61 1 45 LEU 3.72 -0.44 1 46 GLN 4.60 -0.49 1 47 GLN 5.51 -1.12 1 48 MET 3.81 -0.75 1 49 GLN 2.88 -0.31 1 50 GLN -0.46 0.09 1 51 SER -1.46 0.27 1 52 SER -2.76 0.27 1 53 ASP 1.25 -0.18 1 54 ASP 3.86 -0.26 1 55 THR 4.34 -0.41 1 56 ARG 5.14 -0.26 1 57 ILE 4.59 -0.50 1 58 ASN 4.93 -0.43 1 59 TRP 2.06 -0.04 1 60 GLN 5.22 -0.31 1 62 LEU 5.18 -0.66 1 63 ALA 4.68 -0.31 1 64 ILE 6.52 -0.65 1 65 ARG 3.92 -0.66 1 66 ALA 3.11 -0.08 1 67 LEU 3.86 -0.35 1 68 VAL 6.80 -0.83 1 69 LYS 4.23 -0.29 1 70 GLU -0.69 -0.16 1 72 LYS 0.03 0.33 1 73 THR 6.79 -0.96 1 75 GLN 3.78 -0.27 1 76 ALA 3.19 -0.40 1 77 VAL 5.69 -0.72 1 78 GLU 3.80 -0.32 1 79 LEU 2.28 -0.25 1 80 PHE 3.64 -0.66 1 81 ASN 2.62 -0.20 1 82 GLN -0.53 0.00 1 83 LEU 0.92 -0.49 1 85 GLN 2.09 -0.36 1 86 GLU 1.18 0.01 1 87 LEU -5.14 0.29 1 88 ASN -0.25 -0.02 1 89 ASP 4.79 -0.44 1 90 ALA 3.92 -0.25 1 91 GLN 3.00 -0.55 1 92 ARG 4.95 -0.55 1 93 ARG 4.47 -0.34 1 95 LYS 5.10 -0.53 1 96 THR 6.11 -0.41 1 97 LEU 2.77 -0.38 1 98 LEU 2.35 -0.14 1 99 ALA 3.43 -0.88 1 100 VAL 6.01 -0.86 1 101 GLU 4.62 -0.60 1 102 ILE 5.98 -0.80 1 103 LYS 4.78 -0.27 1 104 LEU 4.06 -0.84 1 105 ALA 2.86 -0.23 1 106 GLN 0.58 -0.23 1 108 ASP -1.02 0.17 1 109 PHE 5.70 -0.70 1 110 ALA 3.66 -0.16 1 112 ALA 3.85 -0.43 1 113 GLN 4.87 -0.42 1 114 ASN 3.38 -0.34 1 115 LEU 1.81 -0.27 1 116 LEU 2.62 -0.51 1 117 ALA 2.08 -0.13 1 118 LYS -0.17 0.01 1 119 ILE -1.90 -0.05 1 120 THR -1.41 0.03 1 122 ALA 2.14 -0.28 1 123 ASP 0.10 -0.08 1 124 LEU -1.67 0.03 1 125 GLU -0.88 0.04 1 126 GLN 6.58 -0.44 1 127 ASN 3.95 -0.18 1 128 GLN 1.10 -0.29 1 129 GLN 5.36 -0.64 1 130 ALA 5.62 -0.11 1 131 ARG 1.60 -0.30 1 132 TYR 4.80 -0.87 1 133 TRP 2.69 -0.97 1 134 GLN 3.50 -0.53 1 135 ALA 3.35 -0.29 1 136 LYS 4.23 -0.68 1 137 ILE 4.90 -0.80 1 138 ASP 4.25 -0.34 1 139 ALA 2.91 -0.20 1 140 SER 1.56 -0.25 1 141 GLN 2.59 -0.60 1 143 ARG 0.28 -0.23 1 145 SER -2.96 0.00 1 146 ILE 2.67 -0.13 1 147 ASP 3.31 -0.26 1 148 LEU 3.63 -0.29 1 149 LEU 3.65 -0.55 1 150 ARG 5.08 -0.60 1 151 ALA 2.43 -0.27 1 152 LEU 4.60 -0.67 1 153 ILE 3.41 -0.38 1 154 ALA 3.79 -0.57 1 155 GLN 1.73 -0.65 1 158 LEU -0.07 -0.10 1 159 LEU -2.82 0.09 1 161 ALA 3.96 -0.46 1 162 LYS 3.69 -0.20 1 163 GLU 0.92 -0.05 1 164 LYS 4.35 -0.53 1 165 GLN 4.00 -0.49 1 166 GLN 4.68 -0.20 1 167 ASN 2.58 -0.45 1 168 ILE 4.96 -0.55 1 169 ASP 5.73 0.02 1 170 ALA 3.44 -0.24 1 171 THR 6.70 -0.98 1 172 TRP 1.20 -0.54 1 173 GLN 4.74 -0.95 1 174 ALA 4.18 -0.48 1 175 LEU 2.24 -0.76 1 176 SER 2.25 -1.10 1 177 SER 0.16 0.06 1 178 MET -1.37 0.02 1 179 THR -2.26 0.10 1 180 GLN 5.00 -0.90 1 181 GLU 4.32 -0.41 1 182 GLN 3.32 -0.38 1 183 ALA 3.30 -0.29 1 184 ASN 1.66 -0.12 1 185 THR -0.26 0.04 1 186 LEU 1.02 -0.13 1 187 VAL 0.07 0.03 1 188 ILE -2.72 0.24 1 189 ASN -1.37 0.15 1 190 ALA 2.71 -0.28 1 191 ASP 0.83 -0.03 1 192 GLU 1.70 0.26 1 193 ASN 3.56 -0.35 1 194 ILE 5.51 -0.05 1 195 LEU 5.10 -0.11 1 196 GLN 4.99 -0.51 1 198 TRP 3.49 -0.09 1 199 LEU 4.63 -0.22 1 200 ASP 2.54 0.05 1 201 LEU 6.21 -0.89 1 202 GLN 4.84 -0.44 1 203 ARG 5.21 -0.16 1 204 VAL 5.55 -0.44 1 205 TRP 4.43 -0.31 1 206 PHE 4.12 -0.83 1 207 ASP 2.54 -0.13 1 208 ASN -0.73 0.32 1 209 ARG 5.44 -0.61 1 210 ASN 0.74 -0.01 1 211 ASP -3.01 0.22 1 213 ASP 4.40 -0.18 1 214 MET 2.91 -0.07 1 215 MET 3.66 -0.35 1 216 LYS 5.04 -0.45 1 217 ALA 3.33 -0.13 1 219 ILE 5.31 -0.52 1 220 ALA 3.83 0.21 1 221 ASP 2.74 -0.23 1 222 TRP 7.10 -0.66 1 224 LYS 2.31 -0.45 1 225 ARG 1.93 -0.53 1 226 TYR 0.72 -0.27 1 228 ASN -0.24 -0.14 1 229 ASN -0.08 -0.65 1 232 ALA 1.95 -0.16 1 233 LYS 0.35 -0.16 1 234 MET -2.26 -0.17 1 235 LEU -0.66 0.06 1 237 THR 6.16 -0.73 1 238 GLN 3.57 -0.42 1 239 LEU -0.32 -0.14 1 240 VAL 3.16 -0.44 1 241 ASN 0.49 -0.04 1 242 VAL 2.21 -0.19 1 243 LYS 0.22 -0.09 1 244 ALA -0.47 -0.07 1 245 PHE 0.12 -0.08 1 246 LYS -1.43 -0.08 1 248 ALA -0.30 -0.01 1 249 SER -0.28 0.00 1 250 THR 0.40 -0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18853_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.14 _LACS_plot.Line_1_terminator_val_y_1 -2.05 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.58 _LACS_plot.Line_2_terminator_val_x_2 7.10 _LACS_plot.Line_2_terminator_val_y_2 2.82 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 107 LYS 5.58 -2.31 0 234 MET -2.26 -4.89 0 12 SER 0.01 0.14 1 14 LEU -0.03 -0.68 1 15 VAL -0.21 -2.19 1 17 ARG 0.34 0.56 1 20 HIS 0.53 0.27 1 21 MET 0.10 0.14 1 23 THR -0.16 -0.34 1 24 HIS 0.01 0.09 1 27 ASP -0.90 0.80 1 28 GLN 1.33 0.93 1 29 SER 4.07 1.85 1 30 THR 5.18 0.75 1 31 ALA 3.06 1.43 1 32 TYR 1.89 3.16 1 33 MET 2.99 1.72 1 34 GLN 0.87 0.45 1 36 THR 2.04 -1.19 1 37 ALA -3.23 -2.40 1 38 GLN -2.62 -2.22 1 39 ALA -3.87 -3.71 1 40 ASP -3.11 -0.76 1 41 SER 6.79 1.48 1 42 ALA 4.01 2.43 1 43 PHE 4.25 1.69 1 44 TYR 3.10 2.40 1 45 LEU 3.72 1.75 1 46 GLN 4.60 2.68 1 47 GLN 5.51 3.51 1 48 MET 3.81 1.01 1 49 GLN 2.88 1.03 1 50 GLN -0.46 -0.77 1 51 SER -1.46 -1.35 1 52 SER -2.76 -0.67 1 53 ASP 1.25 0.17 1 54 ASP 3.86 1.40 1 55 THR 4.34 0.66 1 56 ARG 5.14 1.19 1 57 ILE 4.59 1.89 1 58 ASN 4.93 2.79 1 59 TRP 2.06 1.44 1 60 GLN 5.22 2.20 1 62 LEU 5.18 0.84 1 63 ALA 4.68 1.20 1 65 ARG 3.92 2.15 1 66 ALA 3.11 1.19 1 67 LEU 3.86 1.92 1 68 VAL 6.80 3.64 1 69 LYS 4.23 2.12 1 70 GLU -0.69 0.11 1 72 LYS 0.03 0.16 1 73 THR 6.79 1.28 1 75 GLN 3.78 2.35 1 76 ALA 3.19 1.20 1 77 VAL 5.69 1.32 1 78 GLU 3.80 2.37 1 79 LEU 2.28 2.30 1 80 PHE 3.64 2.65 1 81 ASN 2.62 0.58 1 82 GLN -0.53 0.51 1 85 GLN 2.09 1.19 1 86 GLU 1.18 -2.84 1 87 LEU -5.14 -0.62 1 88 ASN -0.25 0.18 1 89 ASP 4.79 1.70 1 90 ALA 3.92 3.65 1 91 GLN 3.00 2.20 1 92 ARG 4.95 2.95 1 93 ARG 4.47 1.19 1 94 GLU 3.32 1.15 1 95 LYS 5.10 0.99 1 96 THR 6.11 0.96 1 97 LEU 2.77 1.15 1 98 LEU 2.35 1.13 1 99 ALA 3.43 2.76 1 100 VAL 6.01 0.91 1 101 GLU 4.62 3.49 1 102 ILE 5.98 0.14 1 103 LYS 4.78 3.09 1 104 LEU 4.06 3.17 1 105 ALA 2.86 1.79 1 106 GLN 0.58 -1.13 1 108 ASP -1.02 -0.03 1 109 PHE 5.70 2.32 1 110 ALA 3.66 2.94 1 112 ALA 3.85 1.20 1 113 GLN 4.87 2.76 1 114 ASN 3.38 2.03 1 115 LEU 1.81 2.42 1 116 LEU 2.62 1.27 1 117 ALA 2.08 0.32 1 118 LYS -0.17 -0.56 1 119 ILE -1.90 -1.96 1 122 ALA 2.14 0.14 1 123 ASP 0.10 -0.89 1 124 LEU -1.67 -0.20 1 125 GLU -0.88 1.86 1 126 GLN 6.58 2.09 1 127 ASN 3.95 2.62 1 128 GLN 1.10 1.82 1 129 GLN 5.36 1.56 1 130 ALA 5.62 2.86 1 131 ARG 1.60 2.73 1 132 TYR 4.80 0.14 1 133 TRP 2.69 2.46 1 134 GLN 3.50 1.13 1 135 ALA 3.35 1.15 1 136 LYS 4.23 3.02 1 137 ILE 4.90 3.47 1 138 ASP 4.25 3.31 1 139 ALA 2.91 -0.52 1 140 SER 1.56 0.83 1 141 GLN 2.59 -0.73 1 145 SER -2.96 -0.02 1 146 ILE 2.67 -0.70 1 147 ASP 3.31 2.31 1 148 LEU 3.63 0.27 1 149 LEU 3.65 0.65 1 150 ARG 5.08 2.53 1 151 ALA 2.43 0.67 1 152 LEU 4.60 2.27 1 153 ILE 3.41 2.43 1 154 ALA 3.79 0.76 1 155 GLN 1.73 1.03 1 158 LEU -0.07 -0.36 1 159 LEU -2.82 0.09 1 161 ALA 3.96 2.23 1 162 LYS 3.69 1.65 1 163 GLU 0.92 1.50 1 164 LYS 4.35 1.58 1 165 GLN 4.00 1.56 1 166 GLN 4.68 2.56 1 167 ASN 2.58 2.91 1 168 ILE 4.96 2.16 1 169 ASP 5.73 3.60 1 170 ALA 3.44 2.61 1 171 THR 6.70 0.58 1 172 TRP 1.20 1.91 1 173 GLN 4.74 1.66 1 174 ALA 4.18 1.10 1 175 LEU 2.24 1.64 1 176 SER 2.25 0.09 1 177 SER 0.16 -0.74 1 178 MET -1.37 -0.52 1 179 THR -2.26 1.00 1 180 GLN 5.00 1.76 1 181 GLU 4.32 2.40 1 182 GLN 3.32 3.17 1 183 ALA 3.30 1.55 1 184 ASN 1.66 1.07 1 185 THR -0.26 -0.02 1 186 LEU 1.02 -1.44 1 187 VAL 0.07 -1.25 1 188 ILE -2.72 -0.63 1 189 ASN -1.37 1.95 1 190 ALA 2.71 -0.03 1 191 ASP 0.83 1.04 1 192 GLU 1.70 -0.35 1 193 ASN 3.56 3.17 1 194 ILE 5.51 1.98 1 195 LEU 5.10 0.35 1 196 GLN 4.99 2.88 1 198 TRP 3.49 2.43 1 199 LEU 4.63 2.38 1 200 ASP 2.54 1.45 1 201 LEU 6.21 0.78 1 202 GLN 4.84 0.69 1 203 ARG 5.21 1.98 1 204 VAL 5.55 2.70 1 205 TRP 4.43 1.14 1 206 PHE 4.12 3.41 1 207 ASP 2.54 1.42 1 208 ASN -0.73 0.43 1 209 ARG 5.44 -0.04 1 210 ASN 0.74 -0.93 1 213 ASP 4.40 3.22 1 214 MET 2.91 3.66 1 215 MET 3.66 1.52 1 216 LYS 5.04 2.67 1 217 ALA 3.33 2.44 1 219 ILE 5.31 0.65 1 220 ALA 3.83 3.22 1 221 ASP 2.74 1.60 1 222 TRP 7.10 1.13 1 223 GLN 2.53 1.89 1 224 LYS 2.31 1.35 1 225 ARG 1.93 0.02 1 228 ASN -0.24 0.25 1 232 ALA 1.95 1.89 1 233 LYS 0.35 -0.03 1 237 THR 6.16 2.44 1 238 GLN 3.57 1.40 1 239 LEU -0.32 -0.70 1 240 VAL 3.16 0.39 1 241 ASN 0.49 0.15 1 242 VAL 2.21 -0.26 1 243 LYS 0.22 -0.64 1 244 ALA -0.47 -0.77 1 245 PHE 0.12 -0.96 1 248 ALA -0.30 -0.24 1 249 SER -0.28 -0.76 1 stop_ save_